(E)-3-(4-aminophenyl)-N-[(1-methylpiperidin-3-yl)methyl]prop-2-enamide

C16H23N3O — CID 115343829

IUPAC(E)-3-(4-aminophenyl)-N-[(1-methylpiperidin-3-yl)methyl]prop-2-enamide
SMILESCN1CCCC(CNC(=O)/C=C/c2ccc(N)cc2)C1
InChIInChI=1S/C16H23N3O/c1-19-10-2-3-14(12-19)11-18-16(20)9-6-13-4-7-15(17)8-5-13/h4-9,14H,2-3,10-12,17H2,1H3,(H,18,20)/b9-6+
InChIKeyTYUIHHIVQKUZOB-RMKNXTFCSA-N
MW273.38 g/mol
LogP1.74
Rot. Bonds4

About (E)-3-(4-aminophenyl)-N-[(1-methylpiperidin-3-yl)methyl]prop-2-enamide

(E)-3-(4-aminophenyl)-N-[(1-methylpiperidin-3-yl)methyl]prop-2-enamide (PubChem CID 115343829) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is (E)-3-(4-aminophenyl)-N-[(1-methylpiperidin-3-yl)methyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-aminophenyl)-N-[(1-methylpiperidin-3-yl)methyl]prop-2-enamide
PubChem CID115343829
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name(E)-3-(4-aminophenyl)-N-[(1-methylpiperidin-3-yl)methyl]prop-2-enamide
SMILESCN1CCCC(CNC(=O)/C=C/c2ccc(N)cc2)C1
InChIInChI=1S/C16H23N3O/c1-19-10-2-3-14(12-19)11-18-16(20)9-6-13-4-7-15(17)8-5-13/h4-9,14H,2-3,10-12,17H2,1H3,(H,18,20)/b9-6+
InChIKeyTYUIHHIVQKUZOB-RMKNXTFCSA-N
XLogP1.74
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-aminophenyl)-N-[(1-methylpiperidin-3-yl)methyl]prop-2-enamide?
The IUPAC name of (E)-3-(4-aminophenyl)-N-[(1-methylpiperidin-3-yl)methyl]prop-2-enamide (CID 115343829) is (E)-3-(4-aminophenyl)-N-[(1-methylpiperidin-3-yl)methyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(4-aminophenyl)-N-[(1-methylpiperidin-3-yl)methyl]prop-2-enamide?
The canonical SMILES for (E)-3-(4-aminophenyl)-N-[(1-methylpiperidin-3-yl)methyl]prop-2-enamide is CN1CCCC(CNC(=O)/C=C/c2ccc(N)cc2)C1.
What is the InChIKey of (E)-3-(4-aminophenyl)-N-[(1-methylpiperidin-3-yl)methyl]prop-2-enamide?
The InChIKey is TYUIHHIVQKUZOB-RMKNXTFCSA-N. The full InChI is InChI=1S/C16H23N3O/c1-19-10-2-3-14(12-19)11-18-16(20)9-6-13-4-7-15(17)8-5-13/h4-9,14H,2-3,10-12,17H2,1H3,(H,18,20)/b9-6+.
What are the key properties of (E)-3-(4-aminophenyl)-N-[(1-methylpiperidin-3-yl)methyl]prop-2-enamide?
(E)-3-(4-aminophenyl)-N-[(1-methylpiperidin-3-yl)methyl]prop-2-enamide has a molecular weight of 273.38 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-aminophenyl)-N-[(1-methylpiperidin-3-yl)methyl]prop-2-enamide is sourced from PubChem (CID 115343829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).